Rate coefficients for the reactions of C2H radicals with methane (k1), ethane (k2), propane (k3), ethylene (k4), and propylene (k5) were computed using canonical variational transition state theory (CVT) coupled with hybrid-meta density functional theory (DFT) over a wide range of temperatures from 150 to 5000 K. The quantum chemical tunneling effect was corrected by the small curvature tunneli...

This paper is concerned with the definition of the discrete fractional Fourier transform (DFRFT). First, an eigendecomposition of the discrete Fourier transform (DFT) matrix is derived by sampling the Hermite Gauss functions which are eigenfunctions of the continuous Fourier transform and by performing a novel error removal procedure. Then, the result of the eigendecomposition of the DFT matrix...

The purpose of this work is to survey what is known about the linear independence of spikes and sines. The paper provides new results for the case where the locations of the spikes and the frequencies of the sines are chosen at random. This problem is equivalent to studying the spectral norm of a random submatrix drawn from the discrete Fourier transform matrix. The proof depends on an extrapol...

The standard method for spectrum analysis in digital signal processing (DSP) is the discrete Fourier transform (DFT), typically implemented using a fast Fourier transform (FFT) algorithm. However, there are applications that require spectrum analysis only over a subset of the N center frequencies of an N-point DFT. A popular, as well as efficient, technique for computing sparse DFT results is t...

We consider the modeling of complex spatial data that require the interpolation of values from collections of samples. We rst show that the approach based on extending DBMSs with new types is too restrictive to meet the needs of data such as moving objects, elevation maps, or other interpolated spatial data. We propose a data model based on the constraint database paradigm, which ooers major im...

Computational gene finding research has emphasized the development of gene finders for bacterial and human DNA. This has left genome projects for some small eukaryotes without a system that addresses their needs. This paper reports on a new system, GlimmerM, that was developed to find genes in the malaria parasite Plasmodium falciparum. Because the gene density in P. falciparum is relatively hi...

We analyze the Schwinger model on an infinite lattice using the continuum definition of the fermion determinant and a linear interpolation of the lattice gauge fields. The possible class of interpolations for the gauge fields, compatible with gauge invariance is discussed. The effective action for the lattice gauge field is computed for the Wilson formulation as well as for non-compact lattice ...